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Environmental Effects of Sediment Transport Alteration and Impacts on Protected Species: Edgartown Tidal Energy Project

The Islands of Martha's Vineyard and Nantucket are separated from the Massachusetts mainland by Vineyard and Nantucket Sounds; water between the two islands flows through Muskeget Channel. The towns of Edgartown (on Martha's Vineyard) and Nantucket recognize that they are vulnerable to power supply interruptions due to their position at the end of the power grid, and due to sea level rise and other consequences of climate change. The tidal energy flowing through Muskeget Channel has been identified by the Electric Power Research Institute as the strongest tidal resource in Massachusetts waters. The Town of Edgartown proposes to develop an initial 5 MW (nameplate) tidal energy project in Muskeget Channel. The project will consist of 14 tidal turbines with 13 providing electricity to Edgartown and one operated by the University of Massachusetts at Dartmouth for research and development. Each turbine will be 90 feet long and 50 feet high. The electricity will be brought to shore by a submarine cable buried 8 feet below the seabed surface which will landfall in Edgartown either on Chappaquiddack or at Katama. Muskeget Channel is located between Martha's Vineyard and Nantucket. Its depth ranges between 40 and 160 feet in the deepest portion. It has strong currents where water is transferred between Nantucket Sound and the Atlantic Ocean continental shelf to the south. This makes it a treacherous passage for navigation. Current users of the channel are commercial and recreational fishing, and cruising boats. The US Coast Guard has indicated that the largest vessel passing through the channel is a commercial scallop dragger with a draft of about 10 feet. The tidal resource in the channel has been measured by the University of Massachusetts-Dartmouth and the peak velocity flow is approximately 5 knots. The technology proposed is the helical Gorlov-type turbine positioned with a horizontal axis that is positively buoyant in the water column and held down by anchors. This is the same technology proposed by Ocean Renewable Power Company in the Western Passage and Cobscook Bay near Eastport Maine. The blades rotate in two directions capturing the tides energy both during flood and ebb tides. The turbines will be anchored to the bottom and suspended in the water column. Initial depth of the turbines is expected to be about 25 feet below the surface to avoid impacting navigation while also capturing the strongest currents. The Town of Edgartown was initially granted a Preliminary Permit by the Federal Energy Regulatory Commission (FERC) on March 1, 2008, and has recently received a second permit valid through August 2014. The Preliminary Permit gives Edgartown the exclusive right to apply for a power generation license for power generated from the hydrokinetic energy in the water flowing in this area. Edgartown filed a Draft Pilot License Application with FERC on February 1, 2010 and an Expanded Environmental Notification Form with the Massachusetts Environmental Policy Act (MEPA) Office at the same time. It expects to file a Final License Application in late 2013. Harris Miller Miller & Hanson (HMMH) of Burlington Massachusetts is acting as the Project Manager for the Town of Edgartown and collaborating with other partners of the project including the University of Massachusetts - Dartmouth's Marine Renewable Energy Center and the Massachusetts Clean Energy Center. HMMH was awarded a grant under the Department of Energy's Advanced Water Program to conduct marine science and hydrokinetic site-specific environmental studies for projects actively seeking a FERC License. HMMH, on behalf of the Town, is managing this comprehensive study of the marine environment in Muskeget Channel and potential impacts of the tidal project on indicator species and habitats. The University of Massachusetts School of Marine Science and Technology (SMAST) conducted oceanographic studies of tidal currents, tide level, benthic habitat, and potential for biofouling and foundation scouring. Woods Hole Oceanographic Institution, cooperating with SMAST, developed an oceanographic model to predict changes in sediment transport as a result of the proposed tidal energy project. Provincetown Center for Coastal Studies prepared background material on protected species - including whales, seals, and sea turtles - in the project area and implemented an initial tagging program to record location specific information on seals and sea turtles. HMMH communicated research plans and findings with local stakeholder groups, state and federal resource agency staff, and the ocean power industry. The information is being used to prepare environmental permit applications and obtain approvals for project construction.

16 TIDAL AND WAVE POWER↗

Challenges in Long-Term Records Preservation and Access - 19549

The US Department of Energy Office of Legacy Management (LM) mission includes preserving records and information about the nation's Cold War-era weapons projects and making that information available for years to come. As LM assumes responsibility for each project, records documenting operations and cleanup activities are absorbed into a central recordkeeping system. Each record category is governed by a federal retention requirement. Routine administrative records are kept just a few years, while the most important records have 'permanent' retention requirements and are transferred to the National Archives typically within 25 years of creation. It is relatively easy for LM to meet retention requirements for these routine and permanent records. LM's big preservation challenge is with records with tremendously long retention requirements. Records with 75-year retention requirements are common, and a small subset of LM records pertaining to waste disposal requires 150-year retention periods. LM must consider the best format for maintaining each of its records collections. Should physical records be boxed up for long-term storage, or should they be digitized? Each option has associated benefits, costs, and risks. Keeping records in paper format avoids digitizing expense and preserves the original media, but the paper must be maintained in a certified storage facility. A vermin infestation or sprinkler malfunction at a certified facility may be rare but could easily destroy records. Keeping the paper and making reference or backup electronic copies reduces the risk of loss but requires diligence and resources to keep the physical records and electronic versions synchronized. This becomes an overwhelming task in a database with millions of records. Entirely replacing paper records with digitized versions as electronic records introduces the risk that records could be lost due to a cybersecurity incident or made inaccessible by evolving technology. LM's early electronic records management efforts were limited to documents saved to PDF format. More recently, LM has embraced the benefits of maintaining records in native formats. (A spreadsheet includes formulas and other details lost when converted to a PDF file.) But whether the file is saved as a Microsoft Excel spreadsheet or PDF document, how do we ensure the file is readable in 75 or 150 years when these records meet their retention requirement? We have no way of knowing for sure from our 2019 vantage point-no more than we would expect to get good technology advice from someone 150 years ago. We cannot predict the technological future, but we can make sure our current electronic records environment is healthy and future ready. This includes making sure the electronic recordkeeping system is built on a modern platform and ensuring that each record in the system is saved in a current format. Quality standards are critical for electronic records to be future ready. Implementing quality involves an organization-wide approach to having consistently formatted file names and complete and descriptive metadata. Quality PDF documents are scanned to settings that ensure characters are machine-readable (with optical character recognition, or OCR). LM is currently replacing its electronic recordkeeping system and simultaneously modernizing its organizational approach to data management; it is replacing a traditional electronic records repository with a system that also manages records stored anywhere across the computer network. This new records management approach will require new thinking in how LM manages a dramatically increased volume of information across the network while not losing focus on its responsibility for long-term records preservation and access. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE SciDAC’s Earth System Grid Center for Enabling Technologies Final Report for University of Southern California Information Sciences Institute

The mission of the Earth System Grid Federation (ESGF) is to provide the worldwide climate-research community with access to the data, information, model codes, analysis tools, and intercomparison capabilities required to make sense of enormous climate data sets. Its specific goals are to (1) provide an easy-to-use and secure web-based data access environment for data sets; (2) add value to individual data sets by presenting them in the context of other data sets and tools for comparative analysis; (3) address the specific requirements of participating organizations with respect to bandwidth, access restrictions, and replication; (4) ensure that the data are readily accessible through the analysis and visualization tools used by the climate research community; and (5) transfer infrastructure advances to other domain areas. For the ESGF, the U.S. Department of Energy’s (DOE’s) Earth System Grid Center for Enabling Technologies (ESG-CET) team has led international development and delivered a production environment for managing and accessing ultra-scale climate data. This production environment includes multiple national and international climate projects (such as the Community Earth System Model and the Coupled Model Intercomparison Project), ocean model data (such as the Parallel Ocean Program), observation data (Atmospheric Radiation Measurement Best Estimate, Carbon Dioxide Information and Analysis Center, Atmospheric Infrared Sounder, etc.), and analysis and visualization tools, all serving a diverse user community. These data holdings and services are distributed across multiple ESG-CET sites (such as ANL, LANL, LBNL/NERSC, LLNL/PCMDI, NCAR, and ORNL) and at unfunded partner sites, such as the Australian National University National Computational Infrastructure, the British Atmospheric Data Centre, the National Oceanic and Atmospheric Administration Geophysical Fluid Dynamics Laboratory, the Max Planck Institute for Meteorology, the German Climate Computing Centre, the National Aeronautics and Space Administration Jet Propulsion Laboratory, and the National Oceanic and Atmospheric Administration. The ESGF software is distinguished from other collaborative knowledge systems in the climate community by its widespread adoption, federation capabilities, and broad developer base. It is the leading source for present climate data holdings, including the most important and largest data sets in the globalclimate community, and—assuming its development continues—we expect it to be the leading source for future climate data holdings as well. Recently, ESG-CET extended its services beyond data-file access and delivery to include more detailed information products (scientific graphics, animations, etc.), secure binary data-access services (based upon the OPeNDAP Data Access Protocol), and server-side analysis. The latter capabilities allow users to request data subsets transformed through commonly used analysis and intercomparison procedures. As we transition from development activities to production and operations, the ESG-CET team is tasked with making data available to all users seeking to understand, process, extract value from, visualize, and/or communicate it to others—this is of course if funding continues at some level. This ongoing effort, though daunting in scope and complexity, would greatly magnify the value of numerical climate model outputs and climate observations for future national and international climate-assessment reports. The ESG-CET team also faces substantial technical challenges due to the rapidly increasing scale of climate simulation and observational data, which will grow, for example, from less than 50 terabytes for the last Intergovernmental Panel on Climate Change (IPCC) assessment to multiple Petabytes for the next IPCC assessment. In a world of exponential technological change and rapidly growing sophistication in climate data analysis, an infrastructure such as ESGF must constantly evolve if it is to remain relevant and useful.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE SciDAC's Earth System Grid Center for Enabling Technologies Final Report

The mission of the Earth System Grid Federation (ESGF) is to provide the worldwide climate-research community with access to the data, information, model codes, analysis tools, and intercomparison capabilities required to make sense of enormous climate data sets. Its specific goals are to (1) provide an easy-to-use and secure web-based data access environment for data sets; (2) add value to individual data sets by presenting them in the context of other data sets and tools for comparative analysis; (3) address the specific requirements of participating organizations with respect to bandwidth, access restrictions, and replication; (4) ensure that the data are readily accessible through the analysis and visualization tools used by the climate research community; and (5) transfer infrastructure advances to other domain areas. For the ESGF, the U.S. Department of Energy's (DOE's) Earth System Grid Center for Enabling Technologies (ESG-CET) team has led international development and delivered a production environment for managing and accessing ultra-scale climate data. This production environment includes multiple national and international climate projects (such as the Community Earth System Model and the Coupled Model Intercomparison Project), ocean model data (such as the Parallel Ocean Program), observation data (Atmospheric Radiation Measurement Best Estimate, Carbon Dioxide Information and Analysis Center, Atmospheric Infrared Sounder, etc.), and analysis and visualization tools, all serving a diverse user community. These data holdings and services are distributed across multiple ESG-CET sites (such as ANL, LANL, LBNL/NERSC, LLNL/PCMDI, NCAR, and ORNL) and at unfunded partner sites, such as the Australian National University National Computational Infrastructure, the British Atmospheric Data Centre, the National Oceanic and Atmospheric Administration Geophysical Fluid Dynamics Laboratory, the Max Planck Institute for Meteorology, the German Climate Computing Centre, the National Aeronautics and Space Administration Jet Propulsion Laboratory, and the National Oceanic and Atmospheric Administration. The ESGF software is distinguished from other collaborative knowledge systems in the climate community by its widespread adoption, federation capabilities, and broad developer base. It is the leading source for present climate data holdings, including the most important and largest data sets in the global-climate community, and - assuming its development continues - we expect it to be the leading source for future climate data holdings as well. Recently, ESG-CET extended its services beyond data-file access and delivery to include more detailed information products (scientific graphics, animations, etc.), secure binary data-access services (based upon the OPeNDAP protocol), and server-side analysis. The latter capabilities allow users to request data subsets transformed through commonly used analysis and intercomparison procedures. As we transition from development activities to production and operations, the ESG-CET team is tasked with making data available to all users seeking to understand, process, extract value from, visualize, and/or communicate it to others. This ongoing effort, though daunting in scope and complexity, will greatly magnify the value of numerical climate model outputs and climate observations for future national and international climate-assessment reports. The ESG-CET team also faces substantial technical challenges due to the rapidly increasing scale of climate simulation and observational data, which will grow, for example, from less than 50 terabytes for the last Intergovernmental Panel on Climate Change (IPCC) assessment to multiple Petabytes for the next IPCC assessment. In a world of exponential technological change and rapidly growing sophistication in climate data analysis, an infrastructure such as ESGF must constantly evolve if it is to remain relevant and useful. Regretfully, we submit our final report at the end of project funding. To continue to serve the climate-science community, we are currently seeking additional funding. Such funding would allow us to maintain and enhance ESGF production and operation of this vital endeavor of cataloging, serving, and analyzing ultra-scale climate science data. At this time, the entire ESG-CET team would like to take this opportunity to sincerely thank our funding agencies in the DOE Scientific Discovery through Advanced Computing (SciDAC) program and the Office of Biological and Environmental Research (OBER) - as well as our national and international collaborators, stakeholders, and partners - for allowing us to work with you and serve the community these past several years.

54 ENVIRONMENTAL SCIENCES↗

Improving the Effectiveness of Burst Buffers for Big Data Processing in HPC Systems with Eley

Here, burst buffer is an effective solution for reducing the data transfer time and the I/O interference in HPC systems. Extending Burst Buffers (BBs) to handle Big Data applications is challenging because BBs must account for the large data inputs of Big Data applications and the Quality-of-Service (QoS) of HPC applications which are considered as first-class citizens in HPC systems. Existing BBs focus on only intermediate data of Big Data applications and incur a high performance degradation of both Big Data and HPC applications. We present Eley , a burst buffer solution that helps to accelerate the performance of Big Data applications while guaranteeing the QoS of HPC applications. To achieve this goal, Eley embraces interference-aware prefetching technique that makes reading data input faster while introducing low interference for HPC applications. Evaluations using a wide range of Big Data and HPC applications demonstrate that Eley improves the performance of Big Data applications by up to 30% compared to existing BBs while maintaining the QoS of HPC applications.

97 MATHEMATICS AND COMPUTING↗

Final Project Report: Composition and Realization of Source-to-Sink High-Performance Flows: File Systems, Storage, Hosts, LAN and WAN

A number of Department of Energy (DOE) science applications, involving exascale computing systems and large experimental facilities, are expected to generate large volumes of data, in the range of petabytes to exabytes, which will be transported over wide-area networks for the purpose of storage, visualization, and analysis. The objectives of this proposal are to (1) develop and test the component technologies and their synthesis methods to achieve source-to-sink high-performance flows, and (2) develop tools that provide these capabilities through simple interfaces to users and applications. In terms of the former, we propose to develop (1) optimization methods that align and transition multiple storage flows to multiple network flows on multicore, multibus hosts; and (2) edge and long-haul network path realization and maintenance using advanced provisioning methods including OSCARS and OpenFlow. We also propose synthesis methods that combine these individual technologies to compose high-performance flows using a collection of constituent storage-network flows, and realize them across the storage and local network connections as well as long-haul connections. We propose to develop automated user tools that profile the hosts, storage systems, and network connections; compose the source-to-sink complex flows; and set up and maintain the needed network connections.

97 MATHEMATICS AND COMPUTING↗

Optimizing Error-Bounded Lossy Compression for Scientific Data With Diverse Constraints

Vast volumes of data are produced by today's scientific simulations and advanced instruments. These data cannot be stored and transferred efficiently because of limited I/O bandwidth, network speed, and storage capacity. Error-bounded lossy compression can be an effective method for addressing these issues: not only can it significantly reduce data size, but it can also control the data distortion based on user-defined error bounds. In practice, many scientific applications have specific requirements or constraints for lossy compression, in order to guarantee that the reconstructed data are valid for post hoc analysis. For example, some datasets contain irrelevant data that should be isolated in particular and users often have intuition regarding value ranges, geospatial regions, and other data subsets that are crucial for subsequent analysis. Existing state-of-the-art error-bounded lossy compressors, however, do not consider these constraints during compression, resulting in inferior compression ratios with respect to user's post hoc analysis, due to the fact that the data itself provides little or no value for post hoc analysis. In this work we address this issue by proposing an optimized framework that can preserve diverse constraints during the error-bounded lossy compression, e.g., cleaning the irrelevant data, efficiently preserving different precision for multiple value intervals, and allowing users to set diverse precision over both regular and irregular regions. We perform our evaluation on a supercomputer with up to 2,100 cores. Experiments with six real-world applications show that our proposed diverse constraints based error-bounded lossy compressor can obtain a higher visual quality or data fidelity on reconstructed data with the same or even higher compression ratios compared with the traditional state-of-the-art compressor SZ. Furthermore, our experiments also demonstrate very good scalability in compression performance compared with the I/O throughput of the parallel file system.

97 MATHEMATICS AND COMPUTING↗

STARlight: A Monte Carlo simulation program for ultra-peripheral collisions of relativistic ions

© 2016 Elsevier B.V. Ultra-peripheral collisions (UPCs) have been a significant source of study at RHIC and the LHC. In these collisions, the two colliding nuclei interact electromagnetically, via two-photon or photonuclear interactions, but not hadronically; they effectively miss each other. Photonuclear interactions produce vector meson states or more general photonuclear final states, while two-photon interactions can produce lepton or meson pairs, or single mesons. In these interactions, the collision geometry plays a major role. We present a program, STARlight, that calculates the cross-sections for a variety of UPC final states and also creates, via Monte Carlo simulation, events for use in determining detector efficiency. Program summary Program Title: STARlight (v2.2) Program Files doi: http://dx.doi.org/10.17632/xjpf4rxtbj.1 Licensing provisions: GNU GPLv3 Programming Language: C++ External Routines: PYTHIA 8.2 and DPMJET 3.0 are needed for some final states. Nature of problem: The cross-section for ultra-peripheral collisions is obtained by integrating the photon fluxes in transverse impact parameter space, subject to the requirement (which is also impact parameter dependent) that the colliding nuclei do not interact hadronically. The program is a two step process. First, it calculates the cross-sections for the reaction of interest, as a function of W (photon–Pomeron or two-photon center of mass energy), Y (final state rapidity) and pT (final state transverse momentum). Second, STARlight generates Monte Carlo events which can be used to determine cross-sections within specific kinematic constraints or for studies of detector efficiencies. The second step includes the decay of any unstable particles produced in the reaction, with appropriate consideration of particle spins and parity. It outputs these events in ASCII format. Solution method: The program generates a two dimensional look-up table of the production cross-section as a function of final state rapidity and mass. The dimensions of the table are selectable, allowing the user to choose the desired accuracy. For certain final states, a second two-dimensional look-up table, giving the transverse momentum distribution, as a function of rapidity, is also used. With these look-up tables, the program generates final states. Particle decays and the final angular distributions are calculated for each event. Restrictions: The program is focused on ultra-relativistic collisions at Brookhaven's RHIC (Relativistic Heavy Ion Collider) and CERN's LHC (Large Hadron Collider), with final states that are visible in a central detector. At lower energies (i.e., at the CERN SPS), caution should be exercised because STARlight does not account for the longitudinal momentum transfer to the nucleus; this is larger at low beam energies. References: http://starlight.hepforge.org and references in this article.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development and application of processing and process control for nano-composite materials for lithium ion batteries (CRADA Final Report)

Oak Ridge National Laboratory and A123 Systems, Inc. collaborated on this project to develop a better understanding, quality control procedures, and safety testing for A123 System’s nanocomposite separator (NCS) technology which is a cell based patented technology and separator. NCS demonstrated excellent performance. x3450 prismatic cells were shown to survive >8000 cycles (1C/2C rate) at room temperature with greater than 80% capacity retention with only NCS present as an alternative to conventional polyolefin. However, for a successful commercialization, the coating conditions required to provide consistent and reliable product had not been optimized and QC techniques for being able to remove defective material before incorporation into a cell had not been developed. The work outlined in this report addresses these latter two points. First, experiments were conducted to understand temperature profiles during the different drying stages of the NCS coating when applied to both anode and cathode. One of the more interesting discoveries of this study was the observation of the large temperature decrease experienced by the wet coating between the end of the infrared (IR) drying stage and the beginning of the exposure to the convection drying oven. This is not a desirable situation as the temperature gradient could have a deleterious effect on coating quality. Based on this and other experimental data a radiative transfer model was developed for IR heating that also included a mass transfer module for drying. This will prove invaluable for battery coating optimization especially where IR drying is being employed. A stress model was also developed that predicts that under certain drying conditions tensile stresses are formed in the coating which could lead to cracking that is sometimes observed after drying is complete. Prediction of under what conditions these stresses form is vital to improving coating quality. In addition to understanding the drying process other parameters such as slurry quality and equipment optimization were examined. Removal of particles and gels by filtering, control of viscosity by %solids and mixing adjustments, removal of trapped gas in the slurry and modification of coater speed and slot die gap were all found to be important for producing uniform and flaw-free coatings. Second, an in-line Hi-Pot testing method has been developed specifically for NCS that will enable detection of coating flaws that could lead to soft or hard electrical shorts within the cell. In this way flawed material can be rejected before incorporation into the cell thus greatly reducing the amount of scrap that is generated. Improved battery safety is an extremely important benefit of NCS. Evaluation of battery safety is usually accomplished by conducting a variety of tests including nail penetration, hot box, over charge, etc. For these tests entire batteries must be built but the resultant temperature and voltage responses reveal little about the breakdown mechanism. In this report is described a pinch test which is used to evaluate NCS quality at various stages including coated anode and cathode as well as assembled cell. Coupled with post-microscopic examination of the damaged ‘pinch point’ test data can assist in the coating optimization from an improved end-use standpoint. As a result of this work two invention disclosures, one for optimizing drying methodology and the other for an in-line system for flaw detection, have been filed. In addition, 2 papers are being written for submission to peer-reviewed journals.

25 ENERGY STORAGE↗

Data and Communications in Basic Energy Sciences: Creating a Pathway for Scientific Discovery

This report is based on the Department of Energy (DOE) Workshop on “Data and Communications in Basic Energy Sciences: Creating a Pathway for Scientific Discovery” that was held at the Bethesda Marriott in Maryland on October 24-25, 2011. The workshop brought together leading researchers from the Basic Energy Sciences (BES) facilities and Advanced Scientific Computing Research (ASCR). The workshop was co-sponsored by these two Offices to identify opportunities and needs for data analysis, ownership, storage, mining, provenance and data transfer at light sources, neutron sources, microscopy centers and other facilities. Their charge was to identify current and anticipated issues in the acquisition, analysis, communication and storage of experimental data that could impact the progress of scientific discovery, ascertain what knowledge, methods and tools are needed to mitigate present and projected shortcomings and to create the foundation for information exchanges and collaboration between ASCR and BES supported researchers and facilities. The workshop was organized in the context of the impending data tsunami that will be produced by DOE’s BES facilities. Current facilities, like SLAC National Accelerator Laboratory’s Linac Coherent Light Source, can produce up to 18 terabytes (TB) per day, while upgraded detectors at Lawrence Berkeley National Laboratory’s Advanced Light Source will generate ~10TB per hour. The expectation is that these rates will increase by over an order of magnitude in the coming decade. The urgency to develop new strategies and methods in order to stay ahead of this deluge and extract the most science from these facilities was recognized by all. The four focus areas addressed in this workshop were: Workflow Management - Experiment to Science: Identifying and managing the data path from experiment to publication. Theory and Algorithms: Recognizing the need for new tools for computation at scale, supporting large data sets and realistic theoretical models. Visualization and Analysis: Supporting near-real-time feedback for experiment optimization and new ways to extract and communicate critical information from large data sets. Data Processing and Management: Outlining needs in computational and communication approaches and infrastructure needed to handle unprecedented data volume and information content. It should be noted that almost all participants recognized that there were unlikely to be any turn-key solutions available due to the unique, diverse nature of the BES community, where research at adjacent beamlines at a given light source facility often span everything from biology to materials science to chemistry using scattering, imaging and/or spectroscopy. However, it was also noted that advances supported by other programs in data research, methodologies, and tool development could be implemented on reasonable time scales with modest effort. Adapting available standard file formats, robust workflows, and in-situ analysis tools for user facility needs could pay long-term dividends. Workshop participants assessed current requirements as well as future challenges and made the following recommendations in order to achieve the ultimate goal of enabling transformative science in current and future BES facilities: Theory and analysis components should be integrated seamlessly within experimental workflow. Develop new algorithms for data analysis based on common data formats and toolsets. Move analysis closer to experiment. Move the analysis closer to the experiment to enable real-time (in-situ) streaming capabilities, live visualization of the experiment and an increase of the overall experimental efficiency. Match data management access and capabilities with advancements in detectors and sources. Remove bottlenecks, provide interoperability across different facilities/beamlines and apply forefront mathematical techniques to more efficiently extract science from the experiments. This workshop report examines and reviews the status of several BES facilities and highlights the successes and shortcomings of the current data and communication pathways for scientific discovery. It then ascertains what methods and tools are needed to mitigate present and projected data bottlenecks to science over the next 10 years. The goal of this report is to create the foundation for information exchanges and collaborations among ASCR and BES supported researchers, the BES scientific user facilities, and ASCR computing and networking facilities. To jumpstart these activities, there was a strong desire to see a joint effort between ASCR and BES along the lines of the highly successful Scientific Discovery through Advanced Computing (SciDAC) program in which integrated teams of engineers, scientists and computer scientists were engaged to tackle a complete end-to-end workflow solution at one or more beamlines, to ascertain what challenges will need to be addressed in order to handle future increases in data

97 MATHEMATICS AND COMPUTING↗

Development of Critical Experiments to Provide Validation Data for Multiphysics Coupling Methods (Final Report)

Computational simulation has become one of the most important tools in the modern toolbox for nuclear reactor design. Reactor simulations, like the reactors themselves, involve multiple physical processes including neutronics, fluid flow and heat transfer (thermal-hydraulics), thermo-mechanics, fuel behavior, chemistry, and balance of plant. Each process can affect the behavior of the others, and advanced computational tools have been developed that couple separate physics models together to simulate the feedback effects. The objective of this work is to generate experimental data to support the validation of multi-physics reactor codes. It specifically targets the SHARP toolset from the NEAMS Reactor Product Line, but it is intended to be useful in any set of coded that couples thermal-hydraulics with neutronics simulations. The project takes advantage of the inherent flexibility of the RPI Reactor Critical Facility (RCF), a low power open-pool research reactor. The standard configuration of the RCF is used to explore the effects of moderator temperature on neutronic behavior and reactivity. Because the low power of the reactor generates no appreciable temperature change in the moderator, the moderator temperature is artificially changed with two 18 kW electric immersion heaters. The temperature feedback effects can be observed by recording the change in the reactor power as the reactor goes from a supercritical state, to critical, to a subcritical state. To expand the temperature range and temperature rate of change that can be investigated, an experimental apparatus consisting of a heated water loop was designed and installed in the RCF. In this setup, water from a heated reservoir tank is pumped through a pipe placed through the center of the reactor core. The water in the reservoir can be heated to around 70 °C and pumped through the system. The pump has a variable flow rate and electronic control, so a number of scenarios can be developed. A slug of water can be pushed through the system to generate a reasonably fast change in reactivity. The pump speed can be increased or decreased over the course of a measurement, or even oscillated at different periods, to observe the response of the reactor. To complement the experimental data generated by the RCF, a set of computational models have been developed. They are intended to illustrate the usefulness of the experimental data generated in validating coupled multi-physics simulations. A model previously constructed in MCNP has been used in conjunction with safety analysis at the RCF for many years and was modified to support the design of the heated water loop experiment. This model was translated into Serpent 2, a similar Monte Carlo code, which provided the added advantage of being able to produce collapsed cross-section data files for use in the deterministic neutron transport codes that are part of the SHARP toolset. A complete reconstruction of the RCF model, both with and without the heated fluid loop experiment, were necessary for use with the SHARP codes, PROTEUS (neutronics) and Nek5000 (thermal hydraulics), as these require an unstructured mesh format to operate. The computational requirements for fully coupled three dimensional simulations are significant, and challenges to full implementation and comparison with RCF experiments remain. A wide variety of experiments have been conducted for eventual benchmarking and validation of multi-physics reactor codes. A complete database of detailed time- and temperature-dependent measurements have been generated and stored. Several examples of the experimental results are presented here, with refinement and analysis of experiments ongoing. While these experiments still only address a finite range of operating conditions, in particular being limited to water in the sub-boiling regime, they represent a unique (to date) look at the feedback between temperature and neutronic behavior suited for validation of the coupling routines in multi-physics codes. It is hoped that these will be the foundation of future benchmarks that will provide confidence in the tools that will be used to develop the next generation of nuclear reactor systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

First Annual Report on Pulsed Thermal Tomography Nondestructive Evaluation of Additively Manufactured Reactor Materials and Components: Pulsed Thermal Tomography Nondestructive Examination of Additively Manufactured Reactor Materials and Components

Additive manufacturing (AM, or 3D printing) for commercial nuclear energy applications is an emerging method for cost-efficient manufacturing aimed at replacing aging nuclear reactor parts and reducing costs for new construction. Because of the geometry of metallic structures of interest for nuclear applications, which consist of planar primitives with no symmetry of revolution, limited options are available for nondestructive evaluation (NDE), either during or post manufacturing. Known material flaws in AM include low-density regions consisting of non-sintered powder, which have to be detected to ensure the safety of long-term performance nuclear reactor components. As a solution to NDE of AM, we are developing pulsed thermal tomography (PTT) models and depth inversion algorithms for 3D imaging. PTT has many advantages because the method is non-contact and allows for in-service, NDE of AM nuclear reactor parts. By analyzing transients of surface temperature response due to internal thermal resistances, one can obtain 3D reconstructions of material effusivity using a unique inversion algorithm developed at Argonne. This report provides results of preliminary performance evaluation of PTT capability in detection of flaws in metallic structures, as well imaging complex geometry AM structures. Performance of PTT was investigated through modeling and experiments, Computer models of PTT were developed using COMSOL Heat Transfer module. Defects were modeled as cylindrical flat bottom holes (FBH), which is a common model of calibrated material flaws in thermal tomography experiments. Materials considered in this study include stainless steel 316 (SS316), stainless steel 304 (SS304), and Inconel 718. Theoretical analyses were conducted to validate inversion of simulated PTT data with COMSOL for a plate. Subsequently, 3D reconstructions were performed on COMSOL simulations for FBH, revealing a decrease in spatial resolution over depth due to thermal diffusion. The results of this study show that the performance of the inversion algorithm for detecting smaller defects depends strongly on the depth of the defect as well as the incident heat flux. The size of detectable defect was estimated by fitting a Gaussian function to surface temperature profile. The criteria for detectability was taken as 20mK noise equivalent temperature difference (NETD), which is currently the sensitivity limit of high-performance infrared cameras. It was determined through computer simulations that the smallest detectable FBH in SS316 has a 50µm diameter and is located 0.5mm below the plate surface. Preliminary experimental studies were performed to evaluate PTT performance in detecting calibrated flaws using metallic specimens with AM defects simulated as drilled-in FBH’s. High strength Stainless Steel 316 and Inconel 718 alloys were considered, as well as lower grade Stainless Steel 304, Nickel 200, and Hastelloy C276. Specimens investigated in this report consisted of approximately 1/4in-thick plates made out of these alloys using conventional manufacturing methods. The diameters of FBH’s varied from 1mm to 8mm, and their depths below the plate flat surface varied between 1mm and 6mm. The size of the smallest FBH was limited to 1mm because conventional mechanical drills were used for creating the holes. PTT imaging results have shown that 1mm-diameter FBH located 1mm and 2mm below the surface were detectable. Larger size FBH were detectable at greater depth. For example, 6mm-diameter FBH could be detected at 8mm depth. Image contrast varied slightly between the specimens, with the best reconstructions obtained in SS316 and C276 plates. Finally, PTT capability in imaging several AM structures fabricated from Inconel 718 (IN718) powder feedstock was investigated. The AM structures have complex geometry, but do not have calibrated internal defects. The objective is to determine PTT settings, such as the total integration time, for imaging of representative AM structures. A new FLIR X8500sc IR camera with higher spatial resolution (1280x1024 at 181Hz frame rate) was integrated into the PTT laboratory setup. Software tools were developed to ensure compatibility of new camera files with legacy effusivity reconstruction codes. The new camera was used to obtain 3-D reconstructions of AM IN718 nozzle plate and a particle filter plate. It was shown that PTT can scan through 2/3in-thick Inconel 718 plates in approximately 15s. Several modes of 3-D data visualization were explored, including using ImageJ and MATLAB software packages. The results demonstrate the capability of PTT in 3-D imaging of complex geometry AM structures. Intermediate results demonstrated in this report will be developed further to investigate detection of flaws in AM specimens.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Estimating soil thermal inertia profiles from the passive equilibration of a temperature probe: Supporting data and code

This dataset contains measurements of soil thermal properties and organic layer thickness at three field sites on the Seward Peninsula near Nome, Alaska, USA. Code is also provided for estimation of soil thermal properties from temperature data, including a forward heat transfer mode, a library of simulated temperature data, and an inversion scheme to retrieve thermal properties from temperature measurements (Lamb et al., 2025). This dataset and code is published in support of the manuscript “Estimating Soil Thermal Inertia Profiles from the Passive Equilibration of a Temperature Probe” by Lamb et al., 2025, in which an experimental thermal measurements technique is developed. The dataset contains measurements of soil thermal properties and organic layer thickness obtained with an industry standard thermal properties analyzer and direct observations, as well as data generated using the experimental technique to estimate thermal properties and soil structure from temperature observations. All data is reported in .csv format, and all code is written in Python 3.7 using standard packages. This research was performed as a part of the NGEE Arctic project, which aims to advance model predictions of arctic carbon cycle responses to a changing climate over the 21st Century.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

EXCHANGE Campaign Degradation (ECD): Understanding Decomposition Dynamics Across Mid-Atlantic and Great Lakes Coastal Ecosystems

The EXploration of Coastal Hydrobiogeochemistry Across a Network of Gradients and Experiments (EXCHANGE) Degradation Experiment (EXCHANGE-D) is an in situ experiment designed to assess organic matter decomposition rates across coastal terrestrial-aquatic interfaces (TAIs), from coastal uplands through transition zones to wetlands. Through a network of partner scientists and coastal sites, we are testing how environmental gradients shape decomposition and carbon dynamics across terrestrial-aquatic interfaces. Using standardized tea bag substrates deployed across a network of diverse coastal sites, we compare decomposition rates at different fresh- and salt-water TAIs to develop transferable knowledge that improves the representation of organic matter degradation in coastal ecosystem models. For more information, please see https://compass.pnnl.gov/FME/EXCHANGE. This is Version 1 of the data package, which includes: ecd_README.pdf flmd.csv dd.csv ecd_soil_weom_L2.csv ecd_soil_ph_conductivity_L2.csv ecd_soil_gwc_L2.csv ecd_soil_teabag_degradation_L2.csv ecd_readme.pdf

coastal soils↗